Cas no 860034-02-2 (Boronic acid, (5-methyl-2-nitrophenyl)-)
860034-02-2 structure
Product Name:Boronic acid, (5-methyl-2-nitrophenyl)-
CAS No:860034-02-2
MF:C7H8BNO4
MW:180.953722000122
CID:1843886
PubChem ID:86061418
Update Time:2025-04-21
Boronic acid, (5-methyl-2-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, (5-methyl-2-nitrophenyl)-
- EN300-4377706
- Boronicacid,(5-methyl-2-nitrophenyl)
- (5-methyl-2-nitrophenyl)boronic acid
- 860034-02-2
-
- Inchi： 1S/C7H8BNO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4,10-11H,1H3
- InChI Key： UYYXXKUUAZPZMI-UHFFFAOYSA-N
- SMILES： OB(C1C=C(C)C=CC=1[N+](=O)[O-])O
Computed Properties
- Exact Mass: 181.0546379g/mol
- Monoisotopic Mass: 181.0546379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 86.3?2
Boronic acid, (5-methyl-2-nitrophenyl)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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